Inorganic Solid Phases

(Si2.656Al1.344)(Al0.485Mg0.697Fe2+1.476Mn0.042Ti0.154)(Na0.013K0.988)Cl0.029(OH)1.812O10.159 (KMg0.68Ti0.15Mn0.04Fe1.48Al1.84Si2.66Cl0.03O10.16[OH]1.81) Crystal Structure

General Information

  • Phase Label(s): KMg0.68Ti0.15Mn0.04Fe1.48Al1.84Si2.66Cl0.03O10.16[OH]1.81
  • Structure Class(es): mica family
  • Classification by Properties:
  • Mineral Name(s): annite 1M
  • Pearson Symbol: mS40
  • Space Group: 12
  • Phase Prototype: KMg3(Al0.25Si0.75)4O10([OH]0.5F0.5)2
  • Measurement Detail(s): automatic diffractometer; 438 (determination of cell parameters), automatic diffractometer; Bruker AXS X8 APEX (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, chloride
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 60 variables; 1046 reflections; I > 2σ(I), R = 0.0270; wR = 0.0736
  • Sample Detail(s): annite 1M sample from U.S.A. Maine, Bryant Pond, electron microprobe analysis; (Si2.656Al1.344)(Al0.485Mg0.697Fe2+1.476Mn0.042Ti0.154)(Na0.013K0.988)Cl0.029(OH)1.812O10.159, single crystal (determination of cell parameters), single crystal, 0.06×0.25×0.29 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: KMg0.68Ti0.15Mn0.04Fe1.48Al1.84Si2.66Cl0.03O10.16[OH]1.81
  • Alphabetic Formula: Al1.84Cl0.03Fe1.48[OH]1.81KMg0.68Mn0.04O10.16Si2.66Ti0.15
  • Published Formula: (Si2.656Al1.344)(Al0.485Mg0.697Fe2+1.476Mn0.042Ti0.154)(Na0.013K0.988)Cl0.029(OH)1.812O10.159
  • Refined Formula: Al1.44F0.10Fe1.51H2KMg1.49O11.90Si2.56
  • Wyckoff Sequence: 12,j3i2hda
  • Z Formula Units: 2
  • Density: ρ = 3.11 Mg·m−3

Crystallographic Data

Cell Parameters

Published Data
Standardized Data
Unit Cell
Niggli-Reduced Cell
Space Group
a
b
c
α
β
γ
a/b
b/c
c/a
V

Atom Coordinates

Standardized

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation
Co-ord. No.
Atomic Env.

Published

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation

Displacement Parameters

Isotropic

Site
Published
U [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1239243

  • Copyright

    ©Springer & Material Phases Data System (MPDS), Switzerland & National Institute for Materials Science (NIMS), Japan, 2016

  • Chief Editor

    Pierre Villars, Material Phases Data System (MPDS), CH-6354 Vitznau, Switzerland

    villars.mpds@bluewin.ch

  • Credits

    SpringerMaterials Release 2016.

    Data generated pre-2002: © Springer & MPDS & NIMS; post-2001: © Springer & MPDS

    All Rights Reserved. Version 2016.10.

    Project Coordinator: Shuichi Iwata

    Section-Editor: Karin Cenzual (Crystal Structures)

  • Cite this content

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